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1331-40-4,MFCD00021979
Catalog No.:AA00146O

1331-40-4 | Pentanol, 2,2,4-trimethyl- (8CI,9CI)

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Technical Information
Catalog Number:
AA00146O
Chemical Name:
Pentanol, 2,2,4-trimethyl- (8CI,9CI)
CAS Number:
1331-40-4
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00021979
SMILES:
OCC(CC(C)C)(C)C
NSC Number:
35410
Properties
Computed Properties
 
Complexity:
74.6  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Literature
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SDS
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Tags:1331-40-4 Molecular Formula|1331-40-4 MDL|1331-40-4 SMILES|1331-40-4 Pentanol, 2,2,4-trimethyl- (8CI,9CI)